(Z)-3-methyl-2-phenylundec-2-enoic acid

C18H26O2 — CID 152642360

IUPAC(Z)-3-methyl-2-phenylundec-2-enoic acid
SMILESCCCCCCCC/C(C)=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C18H26O2/c1-3-4-5-6-7-9-12-15(2)17(18(19)20)16-13-10-8-11-14-16/h8,10-11,13-14H,3-7,9,12H2,1-2H3,(H,19,20)/b17-15-
InChIKeyZFVKPLRKXTZMHP-ICFOKQHNSA-N
MW274.40 g/mol
LogP5.30
Rot. Bonds9

About (Z)-3-methyl-2-phenylundec-2-enoic acid

(Z)-3-methyl-2-phenylundec-2-enoic acid (PubChem CID 152642360) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (Z)-3-methyl-2-phenylundec-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-methyl-2-phenylundec-2-enoic acid
PubChem CID152642360
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(Z)-3-methyl-2-phenylundec-2-enoic acid
SMILESCCCCCCCC/C(C)=C(\C(=O)O)c1ccccc1
InChIInChI=1S/C18H26O2/c1-3-4-5-6-7-9-12-15(2)17(18(19)20)16-13-10-8-11-14-16/h8,10-11,13-14H,3-7,9,12H2,1-2H3,(H,19,20)/b17-15-
InChIKeyZFVKPLRKXTZMHP-ICFOKQHNSA-N
XLogP5.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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benzoic acid;octan-2-one
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2-(1-phenylheptylidene)propanedioic acid
CID 90121852
2-benzhydrylidenedecanoic acid
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hexane;1-phenylethanone
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CID 70376341
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
CID 132915644
CID 132915644
octanoyl benzoate
CID 15556056
hexadecanoyl benzoate
CID 57040691

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-phenylundec-2-enoic acid?
The IUPAC name of (Z)-3-methyl-2-phenylundec-2-enoic acid (CID 152642360) is (Z)-3-methyl-2-phenylundec-2-enoic acid.
What is the SMILES notation for (Z)-3-methyl-2-phenylundec-2-enoic acid?
The canonical SMILES for (Z)-3-methyl-2-phenylundec-2-enoic acid is CCCCCCCC/C(C)=C(\C(=O)O)c1ccccc1.
What is the InChIKey of (Z)-3-methyl-2-phenylundec-2-enoic acid?
The InChIKey is ZFVKPLRKXTZMHP-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-4-5-6-7-9-12-15(2)17(18(19)20)16-13-10-8-11-14-16/h8,10-11,13-14H,3-7,9,12H2,1-2H3,(H,19,20)/b17-15-.
What are the key properties of (Z)-3-methyl-2-phenylundec-2-enoic acid?
(Z)-3-methyl-2-phenylundec-2-enoic acid has a molecular weight of 274.40 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-phenylundec-2-enoic acid is sourced from PubChem (CID 152642360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).